SCHEMBL20102586

SCHEMBL20102586

CCCCCC1CCC(C2CCC(COc3ccc4c(c3F)-c3c-4cc(C)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.31
PDE10A Q9Y233 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
BRD4 O60885 2/20 0.31
RIPK1 Q13546 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20102517 0.97 GRM2 (0.32) GRM2PDE10AHTR2AHTR2CHTR2B
SCHEMBL20102614 0.91 HTR2A (0.31) GRM2HTR2AHTR2CHTR2BBRD4
SCHEMBL20102604 0.91 HTR2A (0.31) GRM2HTR2AHTR2CHTR2BBRD4
SCHEMBL20102590 0.90
SCHEMBL20102519 0.89 HTR2A (0.34) PDE10AHTR2AHTR2CHTR2BBRD4
SCHEMBL20102546 0.89 PPARG (0.31) HTR2AHTR2CHTR2B
SCHEMBL20102585 0.88 RIPK1 (0.31) RIPK1
SCHEMBL20102396 0.86 HTR2A (0.32) GRM2HTR2AHTR2CHTR2BBRD4
SCHEMBL20102571 0.86 HTR2A (0.32) GRM2HTR2AHTR2CHTR2BBRD4
SCHEMBL20102524 0.86 EPHX1 (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S GRM2 3967/4885PDE10A 1161/4885HTR2A 791/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.